1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene

C12H20O2 — CID 159330483

IUPAC1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene
SMILESCCCOC(C)OC12C=CC(CC1)C2
InChIInChI=1S/C12H20O2/c1-3-8-13-10(2)14-12-6-4-11(9-12)5-7-12/h4,6,10-11H,3,5,7-9H2,1-2H3
InChIKeyLEXHOACWBNZHIX-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.88
Rot. Bonds5

About 1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene

1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene (PubChem CID 159330483) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene
PubChem CID159330483
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene
SMILESCCCOC(C)OC12C=CC(CC1)C2
InChIInChI=1S/C12H20O2/c1-3-8-13-10(2)14-12-6-4-11(9-12)5-7-12/h4,6,10-11H,3,5,7-9H2,1-2H3
InChIKeyLEXHOACWBNZHIX-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Exo-butoxybicyclo[2.2.1]hept-2-ene
CID 66877328
2-Cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine
CID 86155607
5-(1-Ethoxyethoxy)bicyclo[2.2.1]hept-2-ene
CID 22336740
5-(1-Propoxyethoxy)bicyclo[2.2.1]hept-2-ene
CID 22336752
5-(1-Butoxyethoxy)bicyclo[2.2.1]hept-2-ene
CID 22336772
5-(1-Methoxyethoxy)bicyclo[2.2.1]hept-2-ene
CID 22336784
2-[(5-Methyl-1-bicyclo[2.2.1]hept-2-enyl)oxy]oxolane
CID 69412957
2-(1-Bicyclo[2.2.1]hept-2-enyloxy)oxolane
CID 69416394
5-[Bis[(2-methylpropan-2-yl)oxy]methyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 70171305
3-(1-Ethoxyethoxy)-6-ethylcyclohexene
CID 123637853
1-Ethoxybicyclo[2.2.1]hept-2-ene
CID 139634158
[3-(1-Ethoxyethoxy)-3-methyl-2-bicyclo[2.2.1]hept-5-enylidene]methanone
CID 145829370

Frequently Asked Questions

What is the IUPAC name of 1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene (CID 159330483) is 1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene is CCCOC(C)OC12C=CC(CC1)C2.
What is the InChIKey of 1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene?
The InChIKey is LEXHOACWBNZHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-8-13-10(2)14-12-6-4-11(9-12)5-7-12/h4,6,10-11H,3,5,7-9H2,1-2H3.
What are the key properties of 1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene?
1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene has a molecular weight of 196.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propoxyethoxy)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 159330483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).